2-methoxyethyl 2-fluoro-4-methylbenzoate

C11H13FO3 — CID 79872980

IUPAC2-methoxyethyl 2-fluoro-4-methylbenzoate
SMILESCOCCOC(=O)c1ccc(C)cc1F
InChIInChI=1S/C11H13FO3/c1-8-3-4-9(10(12)7-8)11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyDNZGBYUMOBULLA-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.94
Rot. Bonds4

About 2-methoxyethyl 2-fluoro-4-methylbenzoate

2-methoxyethyl 2-fluoro-4-methylbenzoate (PubChem CID 79872980) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-methoxyethyl 2-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2-fluoro-4-methylbenzoate
PubChem CID79872980
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-methoxyethyl 2-fluoro-4-methylbenzoate
SMILESCOCCOC(=O)c1ccc(C)cc1F
InChIInChI=1S/C11H13FO3/c1-8-3-4-9(10(12)7-8)11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyDNZGBYUMOBULLA-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
3-methoxypropyl 2-fluorobenzoate
CID 63297243
(3,4,5-trimethylphenyl) 2-fluoro-4-methylbenzoate
CID 20683321
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
2-propoxyethyl 4-amino-2-fluorobenzoate
CID 55231855
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-fluoro-4-methylbenzoate?
The IUPAC name of 2-methoxyethyl 2-fluoro-4-methylbenzoate (CID 79872980) is 2-methoxyethyl 2-fluoro-4-methylbenzoate.
What is the SMILES notation for 2-methoxyethyl 2-fluoro-4-methylbenzoate?
The canonical SMILES for 2-methoxyethyl 2-fluoro-4-methylbenzoate is COCCOC(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-methoxyethyl 2-fluoro-4-methylbenzoate?
The InChIKey is DNZGBYUMOBULLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-8-3-4-9(10(12)7-8)11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-fluoro-4-methylbenzoate?
2-methoxyethyl 2-fluoro-4-methylbenzoate has a molecular weight of 212.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-fluoro-4-methylbenzoate is sourced from PubChem (CID 79872980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).